| SpectraBase Compound ID | 9CS2aa4hR8O |
|---|---|
| InChI | InChI=1S/C13H7ClN2O3/c14-9-3-4-10(12-8(9)2-1-6-15-12)18-13(17)11-5-7-16-19-11/h1-7H |
| InChIKey | UIUDPYBAQQTQEJ-UHFFFAOYSA-N |
| Mol Weight | 274.66 g/mol |
| Molecular Formula | C13H7ClN2O3 |
| Exact Mass | 274.01452 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5KetG70wVPY |
|---|---|
| Name | 5-Isoxazolecarboxylic acid, 5-chloro-8-quinolinyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.014519790 u |
| Formula | C13H7ClN2O3 |
| InChI | InChI=1S/C13H7ClN2O3/c14-9-3-4-10(12-8(9)2-1-6-15-12)18-13(17)11-5-7-16-19-11/h1-7H |
| InChIKey | UIUDPYBAQQTQEJ-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=2N=CC=CC12)OC(C=1ON=CC1)=O)Cl |